N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide

C24H24FN7O2 — CID 67260035

IUPACN-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(Nc2ncnc3cc(OC[C@@H]4CCCN4)ccc23)cn1)Nc1cccc(F)c1
InChIInChI=1S/C24H24FN7O2/c25-16-3-1-4-17(9-16)30-23(33)13-32-12-19(11-29-32)31-24-21-7-6-20(10-22(21)27-15-28-24)34-14-18-5-2-8-26-18/h1,3-4,6-7,9-12,15,18,26H,2,5,8,13-14H2,(H,30,33)(H,27,28,31)/t18-/m0/s1
InChIKeyBYVLPBISZIDYSA-SFHVURJKSA-N
MW461.50 g/mol
LogP3.48
Rot. Bonds8

About N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 67260035) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
PubChem CID67260035
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC NameN-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(Nc2ncnc3cc(OC[C@@H]4CCCN4)ccc23)cn1)Nc1cccc(F)c1
InChIInChI=1S/C24H24FN7O2/c25-16-3-1-4-17(9-16)30-23(33)13-32-12-19(11-29-32)31-24-21-7-6-20(10-22(21)27-15-28-24)34-14-18-5-2-8-26-18/h1,3-4,6-7,9-12,15,18,26H,2,5,8,13-14H2,(H,30,33)(H,27,28,31)/t18-/m0/s1
InChIKeyBYVLPBISZIDYSA-SFHVURJKSA-N
XLogP3.48
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide (CID 67260035) is N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide is O=C(Cn1cc(Nc2ncnc3cc(OC[C@@H]4CCCN4)ccc23)cn1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is BYVLPBISZIDYSA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24FN7O2/c25-16-3-1-4-17(9-16)30-23(33)13-32-12-19(11-29-32)31-24-21-7-6-20(10-22(21)27-15-28-24)34-14-18-5-2-8-26-18/h1,3-4,6-7,9-12,15,18,26H,2,5,8,13-14H2,(H,30,33)(H,27,28,31)/t18-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 461.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 67260035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).